CADDForge workbench — design proposal 01
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OPEN THE MOCKUP

Double-click CADDForge-preview.html or open it in a current desktop browser.
It is self-contained and works directly from disk. No server, package installation,
network connection, account, or CADDForge environment is required.

Open review-board.html beside CADDForge-preview.html for an overview of 12 screens.
The board renders live miniature versions of the prototype. Select a screen to
explore it at full size. A theme selector previews both color schemes.

To share the design, extract CADDForge-design-preview.zip and keep its three files
together. The main preview HTML also works independently.

SUGGESTED WALKTHROUGH

1. Overview: active work, recent results, and drafts.
2. New job: choose GNINA, then Inputs, Method, Compute, and Review.
3. Switch local/Slurm backends, adjust a compute profile, and export an example config.
4. Submit to the in-memory example queue; inspect the resulting job.
5. Jobs: filter by status, tool, or backend; inspect an active or failed job.
6. BRD4 fragment screen: select individual poses, use arrow keys to browse,
   resize the two panels, rotate/zoom the molecular illustration, and toggle layers.
7. RBFE: inspect nodes/edges, drag nodes, add a ligand and connect it, undo edits,
   switch to ligand/transformation tables, and continue to the shared Compute step.
8. Use the Design preview button to inspect empty, disconnected, and missing-pose
   states. Theme switching is available in the header and Settings.

BOUNDARIES

This is a visual and interaction mockup. All initial jobs, input names, molecular
scenes, scores, progress, network compatibility, and resource settings are examples.
The canvas illustrates viewer interactions; it is not Mol* or validated chemistry.
Production integration will use the existing scientific engines, models, artifact
manifests, job registry, and a real molecular viewer after design approval.

The mockup has no API connection. Submission, retry, and cancellation affect only
the in-memory sample queue. Selecting a local input records its name; it does not
read, upload, parse, or analyze the file. Downloaded artifacts are explicitly
marked examples or placeholders, not actual job results.

Theme preferences and setup drafts are saved in browser storage when available.
The sample queue and network edits reset on reload. Settings includes a control
to reset saved preview drafts. Existing production GUI files are unchanged.

SOURCE AND CHECKS

index.html, styles.css, app.js: editable, dependency-free prototype source.
Run: node check-preview.mjs
Package after changes: python3 package-preview.py

The check script exercises screen generation and state transitions with a minimal
DOM harness; it is not a substitute for browser layout and interaction testing.
